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5-(2-NITROPHENYL)-4,7-DIOXO-2-THIOXO-1,2,3,4,5,6,7,8-OCTAHYDROPYRIDO-[2,3-D]-PYRIMIDINE
SpectraBase Compound ID 66TnhVyYXnu
InChI InChI=1S/C13H10N4O4S/c18-9-5-7(6-3-1-2-4-8(6)17(20)21)10-11(14-9)15-13(22)16-12(10)19/h1-4,7H,5H2,(H3,14,15,16,18,19,22)
InChIKey RPLZNPFHBJJRGE-UHFFFAOYSA-N
Mol Weight 318.31 g/mol
Molecular Formula C13H10N4O4S
Exact Mass 318.042276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID uuhyixKXsi
Name 5-(2-NITROPHENYL)-4,7-DIOXO-2-THIOXO-1,2,3,4,5,6,7,8-OCTAHYDROPYRIDO-[2,3-D]-PYRIMIDINE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H10N4O4S
InChI InChI=1S/C13H10N4O4S/c18-9-5-7(6-3-1-2-4-8(6)17(20)21)10-11(14-9)15-13(22)16-12(10)19/h1-4,7H,5H2,(H3,14,15,16,18,19,22)
InChIKey RPLZNPFHBJJRGE-UHFFFAOYSA-N
Literature Reference Author R.RODRIGUEZ,M.SUAREZ,E.OCHOA,A.MORALES,L.GONZALEZ,N.MARTIN,M .QUINTEIRO,C.SEOANE,
Literature Reference Citation J.HETCYCL.CHEM.,33,45(1996)
Literature Reference DOI 10.1002/jhet.5570330108
Molecular Weight 318.307 g/mol
Solvent DMSO-D6
Source File Reference UWCS20851